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editors.dox 2.42 KiB
namespace ost { namespace mol {
/**
\page editors Editors

The structure, topology and connectivity of entities is edited via editors. This 
includes operations such as changing atom positions, connecting atoms with bonds 
as well as adding and removing chains, residues and atoms. 


\section xcs_editor Editor for external coordinate system

The XCSEditor defines the interface for manipulating the external coordinate 
system. The external coordinate system directly operates on atom positions in 
euclidian space. A specific atom position can be changed with 
XCSEditor::SetAtomPos. XCSEditor::ApplyTransform applies a transformation to all 
atoms.

\section ics_editor Editor for internal coordinate system

The ICSEditor is used to manipulate the internal coordinate system that is 
defined by bond lengths and angles. By default the internal coordinate system is 
not calculates. However, upon requesting an ICSEditor for the first time, the
internal coordinate system is initialized. This involves the build-up of a 
directed-graph for the bond network as well as calculating the internal 
coordinate matrices.

The use XCSEditor and ICSEditor are mutually exlusive. This means that whenever
a XCSEditor has pending changes, the results of using an ICSEditor is undefined
and vice versa.

\section edit_modes Edit Modes

Editors support two modes: An unbuffered edit mode and a buffered edit mode. In
the unbuffered edit mode, dependent information such as the spatial organizer 
and the internal coordinate system (in case of the XCSEditor) are updated after 
every change. In buffered edit mode, the updates are delayed until one of the 
following happens:

\li The last editor goes out of scope.
\li XCSEditor::UpdateICS or ICSEditor::UpdateXCS is called explicitly.


The editors follow the RIAA (resource allocation is initialisation) principle: 
Whenever an editor is requested an internal reference counter is incremented. In 
the destructor, this reference count is decremented. When the count drops to 
zero, the dependent infomation is updated.

In Python, one can not rely on the destructors being called. It is adviced to 
always put a call to XCSEditor::UpdateICS or ICSEditor::UpdateXCS when the 
editing is finished. Alternatively, startin from Python version 2.6, one can use 
the <a href="http://docs.python.org/reference/compound_stmts.html#with">with</a> 
statement to make sure the destructor are called and the dependent information
is updated.
*/
}}